#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x67 n SER 2 N 0.00 -1.04 -0.09 1.61 7.64 -1.26 -5.01 113.62 115.47 1x67 n SER 2 Ca 0.00 0.60 -0.15 0.00 1.01 0.00 0.00 58.87 60.33 1x67 n SER 2 Cb 0.00 1.34 -0.08 0.00 -1.01 0.00 0.00 64.21 64.46 1x67 n SER 2 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1x67 h SER 3 N 0.00 0.00 0.00 6.43 0.02 -2.11 -3.51 113.55 114.38 1x67 h SER 3 Ca 0.00 -0.35 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 1x67 h SER 3 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1x67 h SER 3 CO 0.00 1.19 0.00 0.61 -1.14 0.00 0.00 176.83 177.49 1x67 n GLY 4 N 1.51 -0.63 3.06 -3.77 0.00 -1.26 -5.12 105.19 98.98 1x67 n GLY 4 Ca -0.22 0.24 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 1x67 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x67 s SER 5 N -4.00 1.74 -0.40 1.61 0.01 -1.26 -4.85 113.70 106.55 1x67 s SER 5 Ca 0.00 -0.28 -0.29 0.00 1.31 0.00 0.00 55.95 56.69 1x67 s SER 5 Cb 0.00 -0.56 0.00 0.00 0.21 0.00 0.00 66.02 65.67 1x67 s SER 5 CO 0.00 0.09 1.49 -0.55 0.41 0.00 0.00 173.24 174.68 1x67 s SER 6 N 0.25 6.23 -0.09 2.44 0.15 -1.26 -4.94 113.70 116.49 1x67 s SER 6 Ca -0.06 0.90 -0.30 0.00 0.70 0.00 0.00 55.95 57.19 1x67 s SER 6 Cb -0.12 -2.54 0.11 0.00 -1.71 0.00 0.00 66.02 61.77 1x67 s SER 6 CO 0.02 -1.50 0.93 -0.83 1.20 0.00 0.00 173.24 173.05 1x67 s GLY 7 N 4.40 -0.38 -0.17 9.45 0.00 -1.26 -5.12 107.32 114.25 1x67 s GLY 7 Ca 0.65 1.55 -0.29 0.00 0.00 0.00 0.00 44.72 46.63 1x67 s GLY 7 CO 0.33 0.74 1.90 1.06 0.00 0.00 0.00 173.10 177.13 1x67 s MET 8 N -1.94 3.63 -0.16 2.90 -1.94 -1.26 -4.93 119.30 115.60 1x67 s MET 8 Ca 0.00 1.98 -0.30 0.00 -1.71 0.00 0.00 55.69 55.67 1x67 s MET 8 Cb -0.01 -4.18 0.13 0.00 2.01 0.00 0.00 34.83 32.78 1x67 s MET 8 CO -0.02 -1.51 1.01 0.00 -0.01 0.00 0.00 175.02 174.49 1x67 s ALA 9 N 6.13 -1.94 0.28 3.03 0.00 -1.26 -4.87 121.76 123.12 1x67 s ALA 9 Ca 0.85 1.57 -0.30 0.00 0.00 0.00 0.00 51.96 54.09 1x67 s ALA 9 Cb -0.31 -0.68 -0.13 0.00 0.00 0.00 0.00 23.12 21.99 1x67 s ALA 9 CO 0.34 -0.33 1.23 0.00 0.00 0.00 0.00 175.76 177.00 1x67 n ALA 10 N 0.65 0.58 -3.56 0.00 0.00 -1.26 -4.86 120.51 112.06 1x67 n ALA 10 Ca -0.09 0.40 -0.36 0.00 0.00 0.00 0.00 53.44 53.38 1x67 n ALA 10 Cb 0.58 -2.17 -0.13 0.00 0.00 0.00 0.00 19.45 17.73 1x67 n ALA 10 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1x67 s ASN 11 N -0.16 5.05 -0.28 0.00 2.47 -1.26 -4.95 114.94 115.81 1x67 s ASN 11 Ca 0.62 -1.35 0.11 0.00 0.42 0.00 0.00 52.86 52.66 1x67 s ASN 11 Cb -0.66 -1.77 0.57 0.00 -1.45 0.00 0.00 41.25 37.94 1x67 s ASN 11 CO 0.57 -0.32 1.55 0.18 -3.72 0.00 0.00 177.10 175.36 1x67 n LEU 12 N 4.67 4.62 -0.08 3.21 4.32 -1.26 -2.51 117.00 129.97 1x67 n LEU 12 Ca -0.11 -3.46 -0.20 0.00 -0.02 0.00 0.00 56.01 52.22 1x67 n LEU 12 Cb 0.43 -0.65 -0.12 0.00 -1.62 0.00 0.00 43.42 41.46 1x67 n LEU 12 CO 0.29 1.00 -0.36 0.77 -1.22 0.00 0.00 177.39 177.86 1x67 h SER 13 N 1.46 0.07 -0.27 -1.43 4.64 -1.92 -2.90 113.55 113.20 1x67 h SER 13 Ca 0.21 -0.66 0.06 0.00 -0.47 0.00 0.00 61.79 60.93 1x67 h SER 13 Cb 1.83 -0.02 -0.07 0.00 -0.31 0.00 0.00 62.40 63.82 1x67 h SER 13 CO 0.47 1.44 -0.19 0.03 -0.87 0.00 0.00 176.83 177.71 1x67 h ARG 14 N -0.86 -0.17 -1.16 4.77 3.08 -1.94 -2.26 114.38 115.84 1x67 h ARG 14 Ca -0.29 0.01 -0.66 0.00 0.07 0.00 0.00 59.98 59.12 1x67 h ARG 14 Cb 1.35 0.04 -0.33 0.00 0.08 0.00 0.00 29.97 31.10 1x67 h ARG 14 CO -0.12 -0.11 0.34 0.09 -1.07 0.00 0.00 179.97 179.10 1x67 n ASN 15 N -5.35 6.72 0.00 7.04 3.02 -1.26 -4.83 115.26 120.59 1x67 n ASN 15 Ca -0.00 -3.78 0.00 0.00 -0.03 0.00 0.00 54.58 50.76 1x67 n ASN 15 Cb 0.26 -0.79 0.00 0.00 -0.61 0.00 0.00 39.78 38.64 1x67 n ASN 15 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x67 n GLY 16 N -0.76 -2.91 0.39 7.41 0.00 -0.85 -0.47 105.19 108.01 1x67 n GLY 16 Ca 0.54 0.26 0.19 0.00 0.00 0.00 0.00 46.02 47.01 1x67 n GLY 16 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1x67 h PRO 17 N 0.00 0.47 0.86 1.61 0.11 -1.87 -0.66 132.00 132.53 1x67 h PRO 17 Ca 0.00 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.04 1x67 h PRO 17 Cb 0.00 -0.11 0.01 0.00 0.11 0.00 0.00 31.00 31.01 1x67 h PRO 17 CO 0.00 0.31 -0.42 0.00 -0.21 0.00 0.00 178.00 177.68 1x67 h ALA 18 N 1.62 -1.18 0.08 -0.75 0.00 -1.87 -0.26 119.26 116.90 1x67 h ALA 18 Ca 0.53 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 55.21 1x67 h ALA 18 Cb 1.23 0.45 -0.03 0.00 0.00 0.00 0.00 17.79 19.43 1x67 h ALA 18 CO -0.26 -1.09 -0.21 -0.07 0.00 0.00 0.00 179.25 177.62 1x67 h LEU 19 N -1.29 -0.60 -0.80 0.00 3.38 -0.25 -2.20 115.31 113.54 1x67 h LEU 19 Ca -0.12 0.07 0.13 0.00 0.09 0.00 0.00 57.88 58.06 1x67 h LEU 19 Cb 0.89 0.23 -0.09 0.00 0.09 0.00 0.00 40.66 41.79 1x67 h LEU 19 CO 0.20 -0.29 0.40 -0.61 0.09 0.00 0.00 178.44 178.22 1x67 h GLN 20 N -0.38 0.57 0.02 1.13 4.15 -1.18 -1.89 115.11 117.53 1x67 h GLN 20 Ca 0.04 -0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.45 1x67 h GLN 20 Cb 0.42 -0.13 -0.04 0.00 0.21 0.00 0.00 27.48 27.94 1x67 h GLN 20 CO -0.14 0.38 -0.25 1.49 -1.93 0.00 0.00 178.83 178.38 1x67 h GLU 21 N 0.59 -0.38 -0.08 1.69 4.81 -0.44 0.25 114.58 121.02 1x67 h GLU 21 Ca 0.43 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.71 1x67 h GLU 21 Cb 0.58 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.05 1x67 h GLU 21 CO -0.35 -0.25 0.10 0.00 -0.73 0.00 0.00 179.01 177.78 1x67 h ALA 22 N 0.43 1.64 0.00 2.92 0.00 -0.88 0.20 119.26 123.57 1x67 h ALA 22 Ca 0.06 -0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 1x67 h ALA 22 Cb 0.47 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1x67 h ALA 22 CO -0.21 -0.14 -1.01 -0.92 0.00 0.00 0.00 179.25 176.97 1x67 h TYR 23 N 0.00 0.00 0.00 0.00 3.20 -0.38 -3.15 116.97 116.64 1x67 h TYR 23 Ca 0.04 0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.75 1x67 h TYR 23 Cb 0.23 0.00 -0.02 0.00 1.54 0.00 0.00 36.73 38.48 1x67 h TYR 23 CO 0.00 0.61 -0.76 0.28 -1.64 0.00 0.00 178.16 176.65 1x67 h VAL 24 N 0.00 1.47 0.01 1.81 2.07 0.15 -3.12 116.25 118.63 1x67 h VAL 24 Ca -0.09 -2.67 -0.06 0.00 0.82 0.00 0.00 66.70 64.70 1x67 h VAL 24 Cb 1.54 2.47 0.01 0.00 -1.52 0.00 0.00 31.29 33.79 1x67 h VAL 24 CO 0.06 0.75 -0.24 0.03 0.02 0.00 0.00 177.57 178.19 1x67 h ARG 25 N 0.00 0.15 -0.26 1.57 3.08 -1.46 -1.27 114.38 116.20 1x67 h ARG 25 Ca -0.01 -0.17 0.07 0.00 0.07 0.00 0.00 59.98 59.95 1x67 h ARG 25 Cb 1.41 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.50 1x67 h ARG 25 CO 0.10 0.93 0.21 0.28 -1.07 0.00 0.00 179.97 180.43 1x67 h VAL 26 N -0.56 0.68 0.00 2.04 2.07 -1.63 -0.21 116.25 118.64 1x67 h VAL 26 Ca -0.03 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.39 1x67 h VAL 26 Cb 1.02 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 1x67 h VAL 26 CO 0.05 0.00 -1.41 1.33 0.02 0.00 0.00 177.57 177.56 1x67 n VAL 27 N -4.16 0.85 -3.33 2.57 0.24 -1.18 -4.70 118.33 108.62 1x67 n VAL 27 Ca 0.03 -0.63 -0.42 0.00 -2.04 0.00 0.00 64.34 61.28 1x67 n VAL 27 Cb 0.36 -0.49 -0.09 0.00 -1.47 0.00 0.00 33.84 32.16 1x67 n VAL 27 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1x67 s THR 28 N -3.13 5.10 0.19 3.34 2.01 -0.09 -4.93 115.64 118.14 1x67 s THR 28 Ca -0.03 -0.13 0.34 0.00 0.31 0.00 0.00 61.69 62.18 1x67 s THR 28 Cb 0.09 -3.96 0.38 0.00 0.01 0.00 0.00 72.50 69.03 1x67 s THR 28 CO 0.82 -0.29 2.03 -0.08 -0.69 0.00 0.00 174.62 176.40 1x67 h GLU 29 N 8.61 0.00 -0.14 4.92 4.81 -1.87 -3.18 114.58 127.74 1x67 h GLU 29 Ca -0.28 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.00 1x67 h GLU 29 Cb 1.12 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.44 1x67 h GLU 29 CO 0.76 0.02 -0.31 -0.22 -0.73 0.00 0.00 179.01 178.53 1x67 h LYS 30 N 0.00 -0.37 -7.04 1.92 3.64 -1.91 -3.42 116.57 109.39 1x67 h LYS 30 Ca -0.00 0.03 -0.48 0.00 -1.27 0.00 0.00 60.65 58.92 1x67 h LYS 30 Cb 0.45 0.08 0.05 0.00 -0.41 0.00 0.00 32.23 32.41 1x67 h LYS 30 CO 0.00 -0.25 0.15 -1.12 -2.27 0.00 0.00 179.45 175.97 1x67 s SER 31 N -4.93 5.93 -0.76 4.20 0.01 -1.20 -5.01 113.70 111.94 1x67 s SER 31 Ca -0.15 0.83 -0.26 0.00 1.31 0.00 0.00 55.95 57.69 1x67 s SER 31 Cb 0.10 -1.98 0.04 0.00 0.21 0.00 0.00 66.02 64.39 1x67 s SER 31 CO 0.66 -0.83 1.24 -2.16 0.41 0.00 0.00 173.24 172.56 1x67 s PRO 32 N -4.88 3.23 -0.30 12.44 0.04 -1.26 -4.92 135.00 139.35 1x67 s PRO 32 Ca 0.51 -0.49 -0.02 0.00 0.04 0.00 0.00 61.00 61.04 1x67 s PRO 32 Cb -0.10 -4.34 0.19 0.00 0.04 0.00 0.00 34.50 30.28 1x67 s PRO 32 CO 0.45 -2.09 0.64 0.99 0.04 0.00 0.00 177.00 177.04 1x67 s THR 33 N 5.26 -0.94 -0.13 1.26 2.01 -1.26 -4.32 115.64 117.53 1x67 s THR 33 Ca 0.34 0.00 0.16 0.00 0.31 0.00 0.00 61.69 62.49 1x67 s THR 33 Cb -0.09 -1.00 -0.22 0.00 0.01 0.00 0.00 72.50 71.20 1x67 s THR 33 CO 0.11 0.00 0.15 -0.67 -0.69 0.00 0.00 174.62 173.51 1x67 n ASP 34 N 5.43 0.90 -3.85 3.53 -0.08 -0.61 -4.35 116.55 117.52 1x67 n ASP 34 Ca -0.01 0.00 -0.19 0.00 -1.51 0.00 0.00 54.79 53.08 1x67 n ASP 34 Cb 0.51 1.15 -0.09 0.00 2.34 0.00 0.00 41.12 45.04 1x67 n ASP 34 CO 0.00 0.00 0.00 -1.66 0.12 0.00 0.00 177.20 175.66 1x67 s TRP 35 N -2.62 1.64 -0.30 -0.67 1.48 -1.12 -1.95 118.94 115.40 1x67 s TRP 35 Ca -0.08 -1.44 -0.15 0.00 -1.06 0.00 0.00 56.10 53.38 1x67 s TRP 35 Cb 0.07 -0.84 0.17 0.00 -1.16 0.00 0.00 33.47 31.70 1x67 s TRP 35 CO 0.70 -0.59 1.00 0.00 -4.06 0.00 0.00 176.95 174.00 1x67 s ALA 36 N -3.55 -2.82 0.03 2.67 0.00 -0.99 -3.86 121.76 113.24 1x67 s ALA 36 Ca 0.36 1.95 -0.01 0.00 0.00 0.00 0.00 51.96 54.26 1x67 s ALA 36 Cb 0.04 -2.13 -0.04 0.00 0.00 0.00 0.00 23.12 20.99 1x67 s ALA 36 CO 0.19 -1.03 0.17 -1.17 0.00 0.00 0.00 175.76 173.93 1x67 s LEU 37 N 2.50 4.25 -0.11 0.00 2.96 0.62 -1.74 118.68 127.16 1x67 s LEU 37 Ca -0.01 0.25 -0.03 0.00 -0.22 0.00 0.00 54.13 54.12 1x67 s LEU 37 Cb -0.06 -2.71 0.04 0.00 0.50 0.00 0.00 46.19 43.96 1x67 s LEU 37 CO -0.17 0.21 0.05 -0.36 -1.32 0.00 0.00 176.35 174.77 1x67 s PHE 38 N -1.40 0.36 0.33 5.38 0.08 -0.74 -1.00 117.98 121.00 1x67 s PHE 38 Ca 0.30 -0.17 0.05 0.00 0.12 0.00 0.00 56.93 57.23 1x67 s PHE 38 Cb -0.13 -0.69 -0.07 0.00 -0.57 0.00 0.00 43.02 41.57 1x67 s PHE 38 CO 0.22 -0.38 0.02 -0.08 -0.10 0.00 0.00 175.22 174.90 1x67 s THR 39 N 2.08 1.45 1.00 0.64 -1.32 -0.03 -2.05 115.64 117.40 1x67 s THR 39 Ca 0.03 -2.03 -0.12 0.00 -1.21 0.00 0.00 61.69 58.36 1x67 s THR 39 Cb -0.14 -2.75 0.19 0.00 -1.51 0.00 0.00 72.50 68.29 1x67 s THR 39 CO -0.06 -0.07 1.09 -0.31 -2.21 0.00 0.00 174.62 173.05 1x67 s TYR 40 N -3.12 2.06 -0.17 9.09 1.51 -1.26 -0.12 117.35 125.34 1x67 s TYR 40 Ca 0.35 1.05 -0.25 0.00 -1.01 0.00 0.00 57.07 57.21 1x67 s TYR 40 Cb 0.08 -3.24 -0.22 0.00 -0.11 0.00 0.00 41.96 38.47 1x67 s TYR 40 CO 0.15 -2.92 0.48 0.93 -1.11 0.00 0.00 175.55 173.09 1x67 h GLU 41 N -1.92 0.00 0.00 -0.62 4.39 -1.75 -3.44 114.58 111.25 1x67 h GLU 41 Ca -0.54 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.16 1x67 h GLU 41 Cb 1.32 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.97 1x67 h GLU 41 CO 0.56 0.96 0.00 0.41 -1.16 0.00 0.00 179.01 179.79 1x67 n GLY 42 N 1.53 2.53 1.95 -3.84 0.00 -1.26 -5.02 105.19 101.09 1x67 n GLY 42 Ca -0.20 -0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.50 1x67 n GLY 42 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1x67 n ASN 43 N 0.00 5.29 -4.04 1.61 5.15 -1.26 -4.99 115.26 117.02 1x67 n ASN 43 Ca 0.00 -3.77 -0.09 0.00 -0.60 0.00 0.00 54.58 50.12 1x67 n ASN 43 Cb 0.00 -0.63 -0.08 0.00 -0.53 0.00 0.00 39.78 38.53 1x67 n ASN 43 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1x67 s SER 44 N -2.71 0.18 -0.45 1.20 1.04 -1.26 -5.11 113.70 106.60 1x67 s SER 44 Ca 0.55 -1.01 -0.28 0.00 0.48 0.00 0.00 55.95 55.68 1x67 s SER 44 Cb 0.45 0.36 0.01 0.00 0.10 0.00 0.00 66.02 66.93 1x67 s SER 44 CO 0.02 -0.80 1.45 0.20 0.98 0.00 0.00 173.24 175.08 1x67 s ASN 45 N -3.00 6.23 -0.30 7.02 0.01 -1.26 -4.59 114.94 119.05 1x67 s ASN 45 Ca 0.19 0.72 -0.14 0.00 -0.71 0.00 0.00 52.86 52.92 1x67 s ASN 45 Cb 0.05 -2.54 0.19 0.00 0.41 0.00 0.00 41.25 39.36 1x67 s ASN 45 CO -0.00 -1.54 1.15 -1.81 -1.51 0.00 0.00 177.10 173.39 1x67 s ASP 46 N 4.30 -0.07 0.12 -1.22 1.01 -1.26 -4.15 116.67 115.39 1x67 s ASP 46 Ca 0.61 -0.02 -0.30 0.00 0.71 0.00 0.00 52.55 53.54 1x67 s ASP 46 Cb -0.13 0.44 -0.07 0.00 1.01 0.00 0.00 42.92 44.17 1x67 s ASP 46 CO 0.31 -0.01 1.19 -0.63 0.21 0.00 0.00 175.17 176.24 1x67 s ILE 47 N 2.36 3.84 0.06 0.77 -1.09 -1.04 -2.60 121.20 123.50 1x67 s ILE 47 Ca 0.21 1.41 -0.03 0.00 -2.23 0.00 0.00 60.65 60.01 1x67 s ILE 47 Cb 0.03 -3.90 -0.03 0.00 -1.58 0.00 0.00 42.46 36.98 1x67 s ILE 47 CO -0.19 0.16 0.03 0.00 -1.23 0.00 0.00 174.94 173.72 1x67 s ARG 48 N 0.49 0.66 0.43 2.79 1.70 0.83 -4.68 118.95 121.17 1x67 s ARG 48 Ca 0.56 -1.11 -0.24 0.00 -0.47 0.00 0.00 55.73 54.47 1x67 s ARG 48 Cb -0.31 0.24 -0.11 0.00 -0.57 0.00 0.00 34.95 34.21 1x67 s ARG 48 CO 0.32 -0.15 0.94 0.28 -1.08 0.00 0.00 175.30 175.61 1x67 n VAL 49 N 0.14 2.41 0.00 4.99 0.31 -1.26 -0.85 118.33 124.07 1x67 n VAL 49 Ca -0.15 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.68 1x67 n VAL 49 Cb 0.61 -1.06 0.00 0.00 -0.91 0.00 0.00 33.84 32.48 1x67 n VAL 49 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1x67 n ALA 50 N -0.60 1.92 -3.63 3.52 0.00 -0.17 -4.61 120.51 116.95 1x67 n ALA 50 Ca 0.10 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.48 1x67 n ALA 50 Cb 0.39 0.32 -0.06 0.00 0.00 0.00 0.00 19.45 20.11 1x67 n ALA 50 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1x67 s GLY 51 N -3.32 0.04 -0.15 0.00 0.00 -1.19 -4.96 107.32 97.73 1x67 s GLY 51 Ca 0.00 2.85 -0.14 0.00 0.00 0.00 0.00 44.72 47.43 1x67 s GLY 51 CO 0.00 1.56 0.40 -0.51 0.00 0.00 0.00 173.10 174.54 1x67 s THR 52 N -0.37 -0.00 0.00 0.90 -4.23 -1.26 -0.28 115.64 110.40 1x67 s THR 52 Ca 0.05 0.00 -0.29 0.00 -1.18 0.00 0.00 61.69 60.27 1x67 s THR 52 Cb -0.03 -0.56 0.10 0.00 1.34 0.00 0.00 72.50 73.35 1x67 s THR 52 CO -0.08 0.00 1.26 -0.83 -0.54 0.00 0.00 174.62 174.44 1x67 s GLY 53 N 0.25 -0.20 -0.33 3.99 0.00 -1.25 -5.02 107.32 104.75 1x67 s GLY 53 Ca -0.00 0.23 0.09 0.00 0.00 0.00 0.00 44.72 45.03 1x67 s GLY 53 CO 0.00 3.45 1.73 -2.21 0.00 0.00 0.00 173.10 176.07 1x67 n GLU 54 N -0.74 2.93 0.26 2.90 2.13 -1.26 -1.57 120.64 125.29 1x67 n GLU 54 Ca -0.01 -3.07 0.16 0.00 0.66 0.00 0.00 57.16 54.90 1x67 n GLU 54 Cb 0.60 -2.09 0.53 0.00 0.27 0.00 0.00 31.44 30.75 1x67 n GLU 54 CO 0.00 0.00 0.00 0.78 -0.41 0.00 0.00 177.13 177.50 1x67 h GLY 55 N 1.86 0.00 0.00 8.31 0.00 -1.96 -3.45 103.07 107.83 1x67 h GLY 55 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 1x67 h GLY 55 CO 0.71 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.86 1x67 n GLY 56 N 0.36 -1.77 0.22 4.60 0.00 -1.26 -4.19 105.19 103.15 1x67 n GLY 56 Ca 0.02 -1.91 0.05 0.00 0.00 0.00 0.00 46.02 44.18 1x67 n GLY 56 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1x67 h LEU 57 N 0.00 0.00 -0.96 0.99 3.38 -1.95 -1.85 115.31 114.92 1x67 h LEU 57 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1x67 h LEU 57 Cb 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 1x67 h LEU 57 CO 0.00 0.18 0.62 -0.33 0.09 0.00 0.00 178.44 178.99 1x67 h GLU 58 N 0.00 1.28 0.14 1.13 3.07 -1.96 -2.06 114.58 116.18 1x67 h GLU 58 Ca -0.00 -0.09 -0.29 0.00 -0.50 0.00 0.00 59.36 58.48 1x67 h GLU 58 Cb 0.31 -0.28 0.02 0.00 -0.84 0.00 0.00 28.75 27.96 1x67 h GLU 58 CO 0.02 0.86 -1.27 1.49 -1.40 0.00 0.00 179.01 178.72 1x67 h GLU 59 N 1.31 0.42 0.04 2.33 4.57 -1.60 -3.11 114.58 118.54 1x67 h GLU 59 Ca 0.35 -0.65 0.03 0.00 -1.18 0.00 0.00 59.36 57.91 1x67 h GLU 59 Cb -0.12 0.23 -0.04 0.00 -0.16 0.00 0.00 28.75 28.66 1x67 h GLU 59 CO -0.07 1.29 -0.26 1.98 -1.18 0.00 0.00 179.01 180.77 1x67 h MET 60 N 0.15 -0.41 -0.37 1.92 4.05 -1.04 -1.71 114.93 117.51 1x67 h MET 60 Ca -0.17 0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.26 1x67 h MET 60 Cb 1.96 0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 32.84 1x67 h MET 60 CO 0.22 -0.27 0.16 -0.39 0.23 0.00 0.00 176.91 176.86 1x67 h VAL 61 N -0.43 1.14 -0.01 -5.77 -1.51 -1.50 -1.44 116.25 106.73 1x67 h VAL 61 Ca 0.05 -0.43 0.00 0.00 -1.23 0.00 0.00 66.70 65.10 1x67 h VAL 61 Cb 0.49 0.69 -0.00 0.00 -2.13 0.00 0.00 31.29 30.34 1x67 h VAL 61 CO -0.20 0.17 0.01 -0.33 -1.23 0.00 0.00 177.57 175.99 1x67 h GLU 62 N 0.52 0.00 0.00 5.19 4.39 -1.25 -1.29 114.58 122.14 1x67 h GLU 62 Ca 0.13 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.61 1x67 h GLU 62 Cb 0.09 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.71 1x67 h GLU 62 CO -0.01 0.00 -1.36 0.93 -1.16 0.00 0.00 179.01 177.40 1x67 h GLU 63 N 0.00 0.00 -6.28 2.33 4.39 -0.82 -3.46 114.58 110.74 1x67 h GLU 63 Ca 0.00 0.00 -0.62 0.00 0.34 0.00 0.00 59.36 59.09 1x67 h GLU 63 Cb 0.02 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.69 1x67 h GLU 63 CO -0.00 0.54 1.08 1.28 -1.16 0.00 0.00 179.01 180.75 1x67 n LEU 64 N -3.08 3.42 -4.55 1.33 4.77 -0.49 -4.94 117.00 113.45 1x67 n LEU 64 Ca -0.10 0.98 -0.38 0.00 -0.03 0.00 0.00 56.01 56.49 1x67 n LEU 64 Cb 0.94 -1.37 -0.11 0.00 -2.33 0.00 0.00 43.42 40.55 1x67 n LEU 64 CO 0.44 -0.07 -0.19 0.21 -1.33 0.00 0.00 177.39 176.45 1x67 s ASN 65 N 3.91 5.81 -0.74 -1.43 2.47 -1.26 -5.01 114.94 118.68 1x67 s ASN 65 Ca 0.92 -0.07 -0.26 0.00 0.42 0.00 0.00 52.86 53.87 1x67 s ASN 65 Cb -0.70 -2.07 -0.01 0.00 -1.45 0.00 0.00 41.25 37.02 1x67 s ASN 65 CO 0.51 -0.05 1.73 -0.94 -3.72 0.00 0.00 177.10 174.63 1x67 s SER 66 N 1.72 5.53 0.00 -4.21 1.04 -1.26 -2.89 113.70 113.63 1x67 s SER 66 Ca 0.07 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.27 1x67 s SER 66 Cb -0.16 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.42 1x67 s SER 66 CO 0.09 -2.28 0.00 0.61 0.98 0.00 0.00 173.24 172.64 1x67 n GLY 67 N 6.02 0.44 3.12 7.32 0.00 -1.26 -4.65 105.19 116.18 1x67 n GLY 67 Ca 0.23 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.00 1x67 n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x67 s LYS 68 N 0.00 1.62 0.10 1.61 1.02 -1.14 -4.03 119.74 118.92 1x67 s LYS 68 Ca 0.00 -0.58 -0.31 0.00 0.02 0.00 0.00 55.97 55.10 1x67 s LYS 68 Cb 0.00 -1.44 -0.08 0.00 -0.52 0.00 0.00 37.83 35.79 1x67 s LYS 68 CO 0.00 0.25 1.38 0.08 -0.92 0.00 0.00 175.35 176.14 1x67 s VAL 69 N -0.02 3.39 0.30 3.17 1.01 -1.26 -4.17 120.40 122.81 1x67 s VAL 69 Ca -0.02 0.98 0.02 0.00 0.00 0.00 0.00 61.98 62.95 1x67 s VAL 69 Cb -0.10 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 1x67 s VAL 69 CO 0.01 0.07 0.31 -0.04 0.00 0.00 0.00 175.10 175.45 1x67 s MET 70 N 1.24 1.66 -0.07 2.72 -1.94 -1.09 -4.57 119.30 117.25 1x67 s MET 70 Ca 0.64 -1.81 0.02 0.00 -1.71 0.00 0.00 55.69 52.83 1x67 s MET 70 Cb -0.36 0.35 0.02 0.00 2.01 0.00 0.00 34.83 36.85 1x67 s MET 70 CO 0.30 -0.63 -0.11 0.71 -0.01 0.00 0.00 175.02 175.28 1x67 s TYR 71 N -3.54 1.34 -0.15 -0.03 1.51 -0.87 -2.22 117.35 113.39 1x67 s TYR 71 Ca 0.36 -0.50 -0.03 0.00 -1.01 0.00 0.00 57.07 55.90 1x67 s TYR 71 Cb 0.02 -1.02 -0.02 0.00 -0.11 0.00 0.00 41.96 40.84 1x67 s TYR 71 CO 0.21 -0.28 -0.06 0.00 -1.11 0.00 0.00 175.55 174.31 1x67 s ALA 72 N 0.79 2.90 -0.32 3.71 0.00 -0.89 -1.79 121.76 126.17 1x67 s ALA 72 Ca -0.12 -0.86 0.01 0.00 0.00 0.00 0.00 51.96 50.99 1x67 s ALA 72 Cb -0.15 -1.49 0.10 0.00 0.00 0.00 0.00 23.12 21.58 1x67 s ALA 72 CO 0.02 0.18 0.07 0.12 0.00 0.00 0.00 175.76 176.15 1x67 s PHE 73 N 0.43 2.62 0.37 0.00 5.36 -0.71 -1.39 117.98 124.66 1x67 s PHE 73 Ca -0.05 -2.28 0.08 0.00 -0.96 0.00 0.00 56.93 53.72 1x67 s PHE 73 Cb -0.15 -2.22 -0.02 0.00 -0.34 0.00 0.00 43.02 40.29 1x67 s PHE 73 CO 0.03 -0.90 0.33 0.00 -1.46 0.00 0.00 175.22 173.22 1x67 s ARG 75 N -4.05 0.10 0.30 0.00 3.52 -0.82 -1.48 118.95 116.52 1x67 s ARG 75 Ca 0.44 0.20 0.04 0.00 -0.13 0.00 0.00 55.73 56.27 1x67 s ARG 75 Cb -0.05 -1.18 -0.06 0.00 -1.56 0.00 0.00 34.95 32.10 1x67 s ARG 75 CO 0.27 -0.57 0.05 0.14 -0.81 0.00 0.00 175.30 174.38 1x67 s VAL 76 N 2.25 1.11 -0.15 7.11 -7.23 -1.03 -4.93 120.40 117.53 1x67 s VAL 76 Ca 0.04 -2.01 -0.08 0.00 -1.81 0.00 0.00 61.98 58.13 1x67 s VAL 76 Cb -0.15 -2.72 -0.04 0.00 0.56 0.00 0.00 36.38 34.03 1x67 s VAL 76 CO -0.09 -0.05 0.12 -1.59 -0.31 0.00 0.00 175.10 173.18 1x67 s LYS 77 N -3.90 3.70 0.99 4.82 -2.85 -1.26 -0.23 119.74 121.01 1x67 s LYS 77 Ca 0.36 -0.20 -0.12 0.00 -1.00 0.00 0.00 55.97 55.01 1x67 s LYS 77 Cb 0.08 -3.24 0.15 0.00 -2.06 0.00 0.00 37.83 32.76 1x67 s LYS 77 CO 0.14 0.57 0.86 -0.25 0.10 0.00 0.00 175.35 176.77 1x67 n ASP 78 N 2.63 -0.86 -0.03 0.03 9.92 -0.69 -4.87 116.55 122.69 1x67 n ASP 78 Ca -0.18 0.24 -0.15 0.00 -0.53 0.00 0.00 54.79 54.17 1x67 n ASP 78 Cb 0.54 -1.33 -0.10 0.00 -0.64 0.00 0.00 41.12 39.58 1x67 n ASP 78 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1x67 h PRO 79 N -1.99 0.22 0.00 -0.24 0.13 -1.91 -3.12 132.00 125.08 1x67 h PRO 79 Ca -0.48 -0.19 -0.46 0.00 -0.87 0.00 0.00 66.00 64.01 1x67 h PRO 79 Cb 1.29 0.04 -0.07 0.00 0.13 0.00 0.00 31.00 32.40 1x67 h PRO 79 CO 0.41 0.86 -2.53 0.09 -0.23 0.00 0.00 178.00 176.60 1x67 n ASN 80 N -4.52 1.96 -0.32 1.44 3.02 -1.26 -4.47 115.26 111.11 1x67 n ASN 80 Ca -0.09 0.28 0.09 0.00 -0.03 0.00 0.00 54.58 54.83 1x67 n ASN 80 Cb 0.47 -0.77 0.30 0.00 -0.61 0.00 0.00 39.78 39.17 1x67 n ASN 80 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1x67 h SER 81 N -0.87 0.81 -0.81 6.41 0.02 -1.96 -3.45 113.55 113.70 1x67 h SER 81 Ca -0.69 0.05 -0.31 0.00 -0.84 0.00 0.00 61.79 59.99 1x67 h SER 81 Cb 1.65 -0.12 -0.12 0.00 0.14 0.00 0.00 62.40 63.96 1x67 h SER 81 CO -0.38 0.42 -0.29 0.61 -1.14 0.00 0.00 176.83 176.05 1x67 n GLY 82 N -1.38 1.46 3.65 -3.77 0.00 -1.18 -4.94 105.19 99.03 1x67 n GLY 82 Ca 0.18 -0.29 -0.28 0.00 0.00 0.00 0.00 46.02 45.63 1x67 n GLY 82 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x67 s LEU 83 N -3.54 3.27 -0.25 0.99 1.43 -1.26 -4.77 118.68 114.55 1x67 s LEU 83 Ca 0.00 -0.37 -0.29 0.00 -1.03 0.00 0.00 54.13 52.44 1x67 s LEU 83 Cb 0.00 -1.96 -0.02 0.00 0.03 0.00 0.00 46.19 44.24 1x67 s LEU 83 CO 0.00 0.11 1.54 -2.16 0.23 0.00 0.00 176.35 176.07 1x67 s PRO 84 N -2.74 3.81 0.10 1.29 0.04 -1.26 -1.70 135.00 134.54 1x67 s PRO 84 Ca 0.26 1.54 0.06 0.00 0.04 0.00 0.00 61.00 62.90 1x67 s PRO 84 Cb -0.10 -4.00 -0.04 0.00 0.04 0.00 0.00 34.50 30.40 1x67 s PRO 84 CO 0.18 -1.27 -0.04 0.15 0.04 0.00 0.00 177.00 176.06 1x67 s LYS 85 N 4.59 2.39 -0.19 4.56 -0.14 0.68 -4.98 119.74 126.63 1x67 s LYS 85 Ca 0.68 -0.92 -0.09 0.00 -1.36 0.00 0.00 55.97 54.27 1x67 s LYS 85 Cb -0.23 -2.45 -0.05 0.00 -1.68 0.00 0.00 37.83 33.43 1x67 s LYS 85 CO 0.28 0.52 0.12 -0.06 -0.76 0.00 0.00 175.35 175.45 1x67 s PHE 86 N -1.30 3.40 -0.04 3.18 0.08 -1.26 -2.47 117.98 119.57 1x67 s PHE 86 Ca 0.24 0.31 0.04 0.00 0.12 0.00 0.00 56.93 57.64 1x67 s PHE 86 Cb -0.11 -2.13 -0.03 0.00 -0.57 0.00 0.00 43.02 40.18 1x67 s PHE 86 CO 0.17 0.30 -0.13 0.08 -0.10 0.00 0.00 175.22 175.54 1x67 s VAL 87 N 0.27 3.14 -0.11 -0.44 1.01 -0.55 -0.12 120.40 123.60 1x67 s VAL 87 Ca 0.08 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.31 1x67 s VAL 87 Cb -0.11 -2.26 0.02 0.00 0.00 0.00 0.00 36.38 34.03 1x67 s VAL 87 CO -0.01 0.54 -0.12 -0.22 0.00 0.00 0.00 175.10 175.29 1x67 s LEU 88 N -0.89 1.51 -0.09 3.92 2.96 -1.12 -2.59 118.68 122.38 1x67 s LEU 88 Ca 0.12 -0.37 0.04 0.00 -0.22 0.00 0.00 54.13 53.70 1x67 s LEU 88 Cb -0.11 -0.96 -0.01 0.00 0.50 0.00 0.00 46.19 45.61 1x67 s LEU 88 CO 0.02 -0.04 -0.21 -0.63 -1.32 0.00 0.00 176.35 174.17 1x67 s ILE 89 N 1.25 2.37 -1.16 6.68 1.01 -0.49 -1.14 121.20 129.73 1x67 s ILE 89 Ca -0.02 -0.92 -0.10 0.00 0.00 0.00 0.00 60.65 59.60 1x67 s ILE 89 Cb -0.14 -1.92 0.24 0.00 0.01 0.00 0.00 42.46 40.65 1x67 s ILE 89 CO -0.04 0.56 1.32 0.59 0.00 0.00 0.00 174.94 177.36 1x67 n ASN 90 N 3.28 5.51 -4.67 3.58 3.02 -0.00 -2.10 115.26 123.88 1x67 n ASN 90 Ca -0.18 -3.07 -0.47 0.00 -0.03 0.00 0.00 54.58 50.83 1x67 n ASN 90 Cb 0.53 -1.43 -0.04 0.00 -0.61 0.00 0.00 39.78 38.22 1x67 n ASN 90 CO 0.00 0.00 0.00 1.87 -2.62 0.00 0.00 177.26 176.51 1x67 n TRP 91 N 3.51 2.28 -3.51 3.10 -0.00 -0.94 -3.57 117.44 118.29 1x67 n TRP 91 Ca 0.29 0.18 -0.29 0.00 -0.00 0.00 0.00 57.50 57.68 1x67 n TRP 91 Cb 0.39 -2.58 -0.12 0.00 -0.00 0.00 0.00 31.31 29.00 1x67 n TRP 91 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 177.69 178.68 1x67 s THR 92 N 2.06 0.41 0.30 5.87 2.01 -1.09 -2.66 115.64 122.53 1x67 s THR 92 Ca 0.84 -1.90 -0.28 0.00 0.31 0.00 0.00 61.69 60.65 1x67 s THR 92 Cb -0.69 -1.30 -0.13 0.00 0.01 0.00 0.00 72.50 70.38 1x67 s THR 92 CO 0.43 -0.97 1.14 0.61 -0.69 0.00 0.00 174.62 175.14 1x67 n GLY 93 N 3.92 0.12 0.21 4.40 0.00 -1.26 -4.38 105.19 108.20 1x67 n GLY 93 Ca 0.12 0.35 -0.02 0.00 0.00 0.00 0.00 46.02 46.46 1x67 n GLY 93 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1x67 h GLU 94 N 2.41 0.32 -0.07 1.61 4.11 -1.88 -2.70 114.58 118.37 1x67 h GLU 94 Ca -0.42 -0.13 0.02 0.00 0.07 0.00 0.00 59.36 58.90 1x67 h GLU 94 Cb 1.32 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.55 1x67 h GLU 94 CO 0.63 0.62 0.17 0.78 0.07 0.00 0.00 179.01 181.28 1x67 h GLY 95 N 1.09 0.00 -5.49 1.06 0.00 -1.84 -3.41 103.07 94.48 1x67 h GLY 95 Ca 0.04 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.81 1x67 h GLY 95 CO 0.05 0.00 1.07 0.14 0.00 0.00 0.00 176.54 177.81 1x67 s VAL 96 N -4.33 3.73 1.15 4.60 1.01 -1.02 -4.98 120.40 120.55 1x67 s VAL 96 Ca -0.04 0.86 -0.18 0.00 0.00 0.00 0.00 61.98 62.62 1x67 s VAL 96 Cb 0.13 -3.61 0.18 0.00 0.00 0.00 0.00 36.38 33.07 1x67 s VAL 96 CO 0.43 -0.14 0.29 -0.46 0.00 0.00 0.00 175.10 175.22 1x67 n ASN 97 N 7.47 -2.59 -0.01 3.32 6.94 -1.26 -4.67 115.26 124.45 1x67 n ASN 97 Ca 0.17 -0.27 -0.18 0.00 -0.02 0.00 0.00 54.58 54.29 1x67 n ASN 97 Cb 0.44 -0.97 -0.09 0.00 -2.36 0.00 0.00 39.78 36.80 1x67 n ASN 97 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 1x67 h ASP 98 N -2.46 0.79 -0.29 0.53 3.32 -1.94 -1.83 116.42 114.54 1x67 h ASP 98 Ca -0.49 -0.67 0.08 0.00 0.02 0.00 0.00 57.03 55.97 1x67 h ASP 98 Cb 1.25 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.56 1x67 h ASP 98 CO 0.35 1.34 0.27 0.58 -1.72 0.00 0.00 179.24 180.06 1x67 h VAL 99 N 0.29 0.55 0.09 -1.35 2.07 -2.00 -1.71 116.25 114.20 1x67 h VAL 99 Ca -0.07 0.00 -0.34 0.00 0.82 0.00 0.00 66.70 67.11 1x67 h VAL 99 Cb 1.37 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.91 1x67 h VAL 99 CO 0.15 0.00 -1.87 -1.14 0.02 0.00 0.00 177.57 174.73 1x67 n ARG 100 N -3.97 0.71 -0.20 1.57 3.00 -1.19 -3.43 116.66 113.15 1x67 n ARG 100 Ca 0.04 0.33 0.15 0.00 -0.00 0.00 0.00 57.85 58.37 1x67 n ARG 100 Cb 0.42 -1.71 0.47 0.00 0.00 0.00 0.00 32.46 31.64 1x67 n ARG 100 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 1x67 h LYS 101 N -0.18 0.48 0.00 -0.14 1.57 -0.60 0.29 116.57 117.99 1x67 h LYS 101 Ca -0.42 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1x67 h LYS 101 Cb 1.87 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 34.07 1x67 h LYS 101 CO 0.01 0.32 -0.43 0.78 -0.57 0.00 0.00 179.45 179.56 1x67 h GLY 102 N 0.49 0.00 1.23 3.86 0.00 -1.50 -3.07 103.07 104.09 1x67 h GLY 102 Ca 0.40 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.59 1x67 h GLY 102 CO -0.15 0.00 -1.17 0.00 0.00 0.00 0.00 176.54 175.22 1x67 h ALA 103 N 2.04 0.65 0.00 3.60 0.00 -0.81 -3.34 119.26 121.39 1x67 h ALA 103 Ca 0.00 -0.70 -0.15 0.00 0.00 0.00 0.00 54.91 54.06 1x67 h ALA 103 Cb 0.98 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1x67 h ALA 103 CO 0.00 0.80 -0.96 0.00 0.00 0.00 0.00 179.25 179.08 1x67 h ALA 105 N 1.39 1.53 -0.17 0.00 0.00 -1.65 -0.92 119.26 119.44 1x67 h ALA 105 Ca -0.08 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.84 1x67 h ALA 105 Cb 1.53 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1x67 h ALA 105 CO 0.07 0.36 0.12 1.03 0.00 0.00 0.00 179.25 180.83 1x67 h SER 106 N 0.99 0.05 0.91 0.00 0.87 -1.73 -0.36 113.55 114.28 1x67 h SER 106 Ca 0.35 -0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.76 1x67 h SER 106 Cb 0.13 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.06 1x67 h SER 106 CO -0.12 0.04 -0.69 0.45 -0.53 0.00 0.00 176.83 175.98 1x67 h HIS 107 N 0.06 0.00 -0.70 2.24 3.86 -1.36 -3.19 115.15 116.05 1x67 h HIS 107 Ca 0.08 0.00 0.13 0.00 -1.16 0.00 0.00 60.37 59.42 1x67 h HIS 107 Cb 0.24 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.67 1x67 h HIS 107 CO -0.00 0.69 0.47 0.28 0.86 0.00 0.00 177.93 180.23 1x67 h VAL 108 N 0.00 0.83 -1.00 2.45 2.07 -0.86 -0.28 116.25 119.46 1x67 h VAL 108 Ca -0.01 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.39 1x67 h VAL 108 Cb 1.34 0.38 -0.05 0.00 -1.52 0.00 0.00 31.29 31.43 1x67 h VAL 108 CO 0.09 0.08 0.66 -1.28 0.02 0.00 0.00 177.57 177.14 1x67 h SER 109 N 0.42 1.13 0.02 0.57 0.87 -1.59 0.23 113.55 115.19 1x67 h SER 109 Ca 0.34 -0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.87 1x67 h SER 109 Cb 0.74 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.43 1x67 h SER 109 CO -0.10 0.80 -0.01 0.74 -0.53 0.00 0.00 176.83 177.73 1x67 h THR 110 N 1.32 1.26 -0.74 2.23 2.02 -1.29 -3.25 112.91 114.46 1x67 h THR 110 Ca 0.38 -1.84 0.09 0.00 0.77 0.00 0.00 66.41 65.81 1x67 h THR 110 Cb -0.10 2.33 -0.07 0.00 -1.74 0.00 0.00 68.15 68.57 1x67 h THR 110 CO -0.10 0.41 0.38 0.24 0.37 0.00 0.00 175.52 176.83 1x67 h MET 111 N -0.96 0.63 -0.75 6.66 2.07 -1.13 -1.45 114.93 120.00 1x67 h MET 111 Ca -0.00 -0.04 0.13 0.00 -2.07 0.00 0.00 59.70 57.72 1x67 h MET 111 Cb 0.69 -0.14 -0.09 0.00 -1.87 0.00 0.00 31.60 30.19 1x67 h MET 111 CO 0.00 0.42 0.33 0.00 1.07 0.00 0.00 176.91 178.73 1x67 h ALA 112 N 1.43 1.05 -0.44 6.32 0.00 -0.65 -0.48 119.26 126.50 1x67 h ALA 112 Ca 0.36 0.09 -0.10 0.00 0.00 0.00 0.00 54.91 55.26 1x67 h ALA 112 Cb 0.36 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1x67 h ALA 112 CO -0.26 -0.15 -0.13 1.03 0.00 0.00 0.00 179.25 179.74 1x67 h SER 113 N 0.50 0.81 -0.31 0.00 0.87 -1.32 -3.08 113.55 111.02 1x67 h SER 113 Ca 0.40 -0.26 0.02 0.00 -1.23 0.00 0.00 61.79 60.72 1x67 h SER 113 Cb 0.55 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.27 1x67 h SER 113 CO -0.36 0.95 0.16 0.15 -0.53 0.00 0.00 176.83 177.20 1x67 h PHE 114 N 0.73 0.29 -1.44 2.24 3.57 -0.45 -3.06 116.94 118.82 1x67 h PHE 114 Ca 0.12 0.01 -0.76 0.00 3.53 0.00 0.00 57.97 60.87 1x67 h PHE 114 Cb 0.63 -0.09 -0.16 0.00 2.79 0.00 0.00 35.95 39.13 1x67 h PHE 114 CO 0.03 0.16 2.07 1.28 -2.23 0.00 0.00 178.31 179.62 1x67 n LEU 115 N -4.95 7.69 -4.59 0.59 4.77 -0.72 -5.00 117.00 114.80 1x67 n LEU 115 Ca -0.00 -4.96 -0.28 0.00 -0.03 0.00 0.00 56.01 50.73 1x67 n LEU 115 Cb 0.07 -1.34 0.22 0.00 -2.33 0.00 0.00 43.42 40.04 1x67 n LEU 115 CO 0.31 1.96 0.58 -0.54 -1.33 0.00 0.00 177.39 178.37 1x67 s LYS 116 N -1.57 -0.34 0.00 3.23 -0.14 -1.16 -3.87 119.74 115.89 1x67 s LYS 116 Ca 0.49 0.57 0.00 0.00 -1.36 0.00 0.00 55.97 55.67 1x67 s LYS 116 Cb 0.17 -1.64 0.00 0.00 -1.68 0.00 0.00 37.83 34.68 1x67 s LYS 116 CO -0.08 -3.27 0.00 0.41 -0.76 0.00 0.00 175.35 171.66 1x67 n GLY 117 N -0.29 3.18 3.51 -3.33 0.00 -1.26 -4.98 105.19 102.01 1x67 n GLY 117 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1x67 n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x67 n ALA 118 N -1.19 0.75 0.22 4.61 0.00 -1.25 -4.22 120.51 119.42 1x67 n ALA 118 Ca 0.00 -0.48 0.08 0.00 0.00 0.00 0.00 53.44 53.04 1x67 n ALA 118 Cb 0.00 -2.74 0.48 0.00 0.00 0.00 0.00 19.45 17.19 1x67 n ALA 118 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1x67 h HIS 119 N 15.26 0.00 -2.64 0.00 3.86 -0.90 -3.41 115.15 127.31 1x67 h HIS 119 Ca -0.20 0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 58.74 1x67 h HIS 119 Cb 1.30 0.00 -0.35 0.00 1.06 0.00 0.00 27.41 29.42 1x67 h HIS 119 CO 1.00 0.27 -0.59 0.08 0.86 0.00 0.00 177.93 179.54 1x67 s VAL 120 N -3.90 -0.36 -0.37 2.45 1.01 -1.25 -5.03 120.40 112.95 1x67 s VAL 120 Ca -0.01 0.05 -0.15 0.00 0.00 0.00 0.00 61.98 61.87 1x67 s VAL 120 Cb 0.12 -0.58 -0.00 0.00 0.00 0.00 0.00 36.38 35.92 1x67 s VAL 120 CO 0.65 -0.07 0.35 -0.89 0.00 0.00 0.00 175.10 175.14 1x67 s THR 121 N 2.36 5.19 -0.11 3.92 2.01 -1.26 -2.81 115.64 124.94 1x67 s THR 121 Ca 0.05 -0.18 -0.01 0.00 0.31 0.00 0.00 61.69 61.86 1x67 s THR 121 Cb -0.14 -3.86 -0.03 0.00 0.01 0.00 0.00 72.50 68.48 1x67 s THR 121 CO -0.11 -0.18 -0.07 -0.63 -0.69 0.00 0.00 174.62 172.94 1x67 s ILE 122 N 1.94 3.61 -0.84 1.82 1.01 -0.30 -5.03 121.20 123.42 1x67 s ILE 122 Ca 0.10 -0.49 -0.08 0.00 0.00 0.00 0.00 60.65 60.18 1x67 s ILE 122 Cb -0.17 -2.52 0.22 0.00 0.01 0.00 0.00 42.46 40.00 1x67 s ILE 122 CO 0.12 0.55 0.75 0.20 0.00 0.00 0.00 174.94 176.55 1x67 s ASN 123 N -0.20 6.32 0.66 3.58 -0.87 -1.26 -0.82 114.94 122.35 1x67 s ASN 123 Ca 0.02 -3.10 0.03 0.00 -1.57 0.00 0.00 52.86 48.24 1x67 s ASN 123 Cb -0.13 -2.06 0.11 0.00 -0.02 0.00 0.00 41.25 39.15 1x67 s ASN 123 CO 0.03 -0.39 0.91 0.00 -2.57 0.00 0.00 177.10 175.08 1x67 s ALA 124 N -0.45 4.04 0.00 0.60 0.00 -1.23 -4.93 121.76 119.79 1x67 s ALA 124 Ca 0.22 -1.83 0.00 0.00 0.00 0.00 0.00 51.96 50.34 1x67 s ALA 124 Cb -0.12 -1.83 0.00 0.00 0.00 0.00 0.00 23.12 21.16 1x67 s ALA 124 CO -0.08 -1.21 0.00 0.54 0.00 0.00 0.00 175.76 175.01 1x67 n ARG 125 N -2.61 0.00 -3.14 0.00 3.00 -1.26 -2.66 116.66 109.99 1x67 n ARG 125 Ca 0.15 0.00 -0.21 0.00 -0.01 0.00 0.00 57.85 57.77 1x67 n ARG 125 Cb 0.61 -0.31 0.01 0.00 0.00 0.00 0.00 32.46 32.76 1x67 n ARG 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1x67 s ALA 126 N -1.25 3.96 0.26 7.54 0.00 -1.26 -4.15 121.76 126.86 1x67 s ALA 126 Ca 0.00 -1.24 0.22 0.00 0.00 0.00 0.00 51.96 50.94 1x67 s ALA 126 Cb 0.00 -1.96 0.97 0.00 0.00 0.00 0.00 23.12 22.13 1x67 s ALA 126 CO 0.00 -0.28 1.87 0.93 0.00 0.00 0.00 175.76 178.28 1x67 h GLU 127 N 0.56 0.00 0.00 0.00 5.08 -1.98 -2.52 114.58 115.72 1x67 h GLU 127 Ca -0.46 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.85 1x67 h GLU 127 Cb 1.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 1x67 h GLU 127 CO 0.55 0.26 -0.27 1.05 -1.00 0.00 0.00 179.01 179.61 1x67 h GLU 128 N 0.00 0.00 -0.84 2.33 4.11 -2.01 -2.92 114.58 115.25 1x67 h GLU 128 Ca -0.00 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.22 1x67 h GLU 128 Cb 0.66 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.79 1x67 h GLU 128 CO 0.03 0.27 0.26 -0.25 0.07 0.00 0.00 179.01 179.39 1x67 n ASP 129 N -3.34 4.14 -0.98 3.06 8.00 -0.95 -3.98 116.55 122.50 1x67 n ASP 129 Ca 0.01 -3.00 -0.01 0.00 0.71 0.00 0.00 54.79 52.50 1x67 n ASP 129 Cb 0.50 -0.71 -0.02 0.00 -0.02 0.00 0.00 41.12 40.87 1x67 n ASP 129 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1x67 n VAL 130 N -0.16 0.00 -1.73 2.53 0.24 -1.11 -4.65 118.33 113.45 1x67 n VAL 130 Ca 0.35 -0.31 -0.30 0.00 -2.04 0.00 0.00 64.34 62.03 1x67 n VAL 130 Cb 1.21 0.56 0.05 0.00 -1.47 0.00 0.00 33.84 34.20 1x67 n VAL 130 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1x67 s GLU 131 N 0.00 2.86 0.17 7.34 8.01 -1.23 -4.82 118.70 131.03 1x67 s GLU 131 Ca 0.11 0.68 -0.22 0.00 0.01 0.00 0.00 54.97 55.54 1x67 s GLU 131 Cb 0.12 -2.00 0.07 0.00 -4.31 0.00 0.00 34.13 28.01 1x67 s GLU 131 CO -0.05 -1.08 1.60 -1.35 0.01 0.00 0.00 175.26 174.38 1x67 h PRO 132 N -0.70 -0.22 -0.24 0.39 0.11 -1.94 -0.42 132.00 128.98 1x67 h PRO 132 Ca -0.45 0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.58 1x67 h PRO 132 Cb 1.23 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 1x67 h PRO 132 CO 0.61 -0.15 -0.25 1.05 -0.21 0.00 0.00 178.00 179.05 1x67 h GLU 133 N -0.23 0.46 0.00 1.05 4.11 -1.97 -0.50 114.58 117.49 1x67 h GLU 133 Ca 0.18 -0.17 -0.00 0.00 0.07 0.00 0.00 59.36 59.44 1x67 h GLU 133 Cb 0.54 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 1x67 h GLU 133 CO -0.56 0.67 -0.00 0.00 0.07 0.00 0.00 179.01 179.19 1x67 n ILE 135 N -3.99 1.58 0.26 0.00 5.41 -0.63 -4.27 119.36 117.72 1x67 n ILE 135 Ca -0.03 -0.41 0.12 0.00 1.00 0.00 0.00 62.75 63.43 1x67 n ILE 135 Cb 0.09 -1.77 0.73 0.00 -0.71 0.00 0.00 39.64 37.98 1x67 n ILE 135 CO 0.00 0.00 0.00 0.24 0.00 0.00 0.00 176.55 176.79 1x67 h MET 136 N -0.50 0.00 0.00 0.38 2.86 -0.92 -1.31 114.93 115.44 1x67 h MET 136 Ca -0.53 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.06 1x67 h MET 136 Cb 1.71 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.36 1x67 h MET 136 CO -0.18 0.10 -0.25 0.93 1.06 0.00 0.00 176.91 178.58 1x67 h GLU 137 N 0.00 0.00 0.00 1.72 5.08 -0.84 -2.86 114.58 117.68 1x67 h GLU 137 Ca -0.00 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.13 1x67 h GLU 137 Cb 0.24 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.45 1x67 h GLU 137 CO 0.01 0.25 -1.85 1.63 -1.00 0.00 0.00 179.01 178.05 1x67 n LYS 138 N -3.74 0.65 -0.08 2.33 5.02 -0.59 -4.20 118.16 117.56 1x67 n LYS 138 Ca -0.01 0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 1x67 n LYS 138 Cb 0.35 -1.67 0.29 0.00 -0.02 0.00 0.00 35.03 33.98 1x67 n LYS 138 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1x67 h VAL 139 N 0.00 1.18 -0.85 -0.18 2.07 -1.09 -2.34 116.25 115.04 1x67 h VAL 139 Ca -0.28 -0.54 0.02 0.00 0.82 0.00 0.00 66.70 66.71 1x67 h VAL 139 Cb 1.78 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 32.08 1x67 h VAL 139 CO 0.04 0.21 0.56 0.00 0.02 0.00 0.00 177.57 178.40 1x67 h ALA 140 N 1.53 1.42 -1.50 1.67 0.00 -1.69 -3.39 119.26 117.30 1x67 h ALA 140 Ca 0.17 -0.05 -0.47 0.00 0.00 0.00 0.00 54.91 54.56 1x67 h ALA 140 Cb 0.12 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1x67 h ALA 140 CO -0.02 0.53 1.43 0.45 0.00 0.00 0.00 179.25 181.64 1x67 s SER 141 N -6.25 4.92 0.84 0.00 0.15 -0.88 -4.92 113.70 107.56 1x67 s SER 141 Ca -0.12 0.59 -0.08 0.00 0.70 0.00 0.00 55.95 57.05 1x67 s SER 141 Cb 0.18 -2.52 0.17 0.00 -1.71 0.00 0.00 66.02 62.14 1x67 s SER 141 CO 0.79 -2.61 1.15 -0.83 1.20 0.00 0.00 173.24 172.95 1x67 s GLY 142 N 9.73 1.77 0.00 9.45 0.00 -1.26 -5.03 107.32 121.99 1x67 s GLY 142 Ca 0.79 -1.55 -0.30 0.00 0.00 0.00 0.00 44.72 43.66 1x67 s GLY 142 CO 0.22 -0.87 1.30 2.56 0.00 0.00 0.00 173.10 176.31 1x67 s PRO 143 N -5.50 4.34 0.17 2.90 0.04 -1.26 -4.94 135.00 130.75 1x67 s PRO 143 Ca 0.71 1.84 -0.11 0.00 0.04 0.00 0.00 61.00 63.47 1x67 s PRO 143 Cb -0.04 -3.50 0.06 0.00 0.04 0.00 0.00 34.50 31.06 1x67 s PRO 143 CO 0.49 -0.46 1.67 1.03 0.04 0.00 0.00 177.00 179.76 1x67 h SER 144 N 7.42 0.89 -2.88 6.66 0.87 -2.03 -3.42 113.55 121.06 1x67 h SER 144 Ca -0.38 -0.25 -0.63 0.00 -1.23 0.00 0.00 61.79 59.30 1x67 h SER 144 Cb 1.18 -0.24 -0.06 0.00 -0.44 0.00 0.00 62.40 62.85 1x67 h SER 144 CO 0.87 0.91 -0.32 -0.44 -0.53 0.00 0.00 176.83 177.33 1x67 s SER 145 N -6.30 6.62 0.00 6.23 0.01 -1.26 -5.35 113.70 113.65 1x67 s SER 145 Ca -0.12 0.74 0.00 0.00 1.31 0.00 0.00 55.95 57.87 1x67 s SER 145 Cb 0.13 -2.16 0.00 0.00 0.21 0.00 0.00 66.02 64.19 1x67 s SER 145 CO 0.82 0.33 0.00 0.61 0.41 0.00 0.00 173.24 175.41